[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)ethanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-phenylethanoylamino)ethanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c28-22(16-19-8-4-3-5-9-19)25-17-24(30)31-18-23(29)26-20-10-12-21(13-11-20)27-14-6-1-2-7-15-27/h3-5,8-13H,1-2,6-7,14-18H2,(H,25,28)(H,26,29)